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Bulk and Surface Tunneling Hydrogen Defects in Alumina

Bulk and Surface Tunneling Hydrogen Defects in Alumina

We perform ab initio calculations of hydrogen-based tunneling defects in alumina to identify deleterious two-level systems (TLS) in superconducting qubits. The defects analyzed include bulk hydrogenated Al vacancies, bulk hydrogen interstitial defects, and a surface OH rotor. The formation energies of the defects are first computed for an Al- and …